The Molecular Graphics Laboratory Forum

AutoDock, AutoLigand, MGLTools, Vina, PyRx and more.
It is currently Mon Jul 28, 2014 10:17 am

All times are UTC




Post new topic Reply to topic  [ 3 posts ] 
Author Message
PostPosted: Tue May 03, 2011 2:02 pm 
Offline
Millimolar User
Millimolar User
User avatar

Joined: Tue May 03, 2011 1:53 pm
Posts: 6
Dear friends
Here is a software developed by our research team for easily working with AutoDock Vina
which is one of the quickest and reliable softwares available for docking simulations.
Unlike many other free docking softwares, Vina can perform rigid docking simulations at an appreciable speed with good levels of accuracy.

Image

kindly consult the manual for full details

advantages: 1. Virtual screening of any number of compounds
2. Alignment of results according to their score
3. Resumption of work in case of accidental shut down of system of power failure
4. Easy monitoring of progress of work

Websites: http://sdisau.blogspot.com/
For software - http://sourceforge.net/projects/audocker/files/?


Top
 Profile  
 
PostPosted: Thu Mar 22, 2012 5:42 pm 
Offline
Micromolar User
Micromolar User
User avatar

Joined: Thu Mar 01, 2012 5:50 pm
Posts: 12
What is upper value for exhaustiveness and no of poses? what does no of poses mean anyway when exhaustiveness is already defined?


Top
 Profile  
 
PostPosted: Sun Apr 08, 2012 11:01 pm 
Offline
Micromolar User
Micromolar User
User avatar

Joined: Fri Sep 30, 2011 12:36 pm
Posts: 11
In the FAQ you'll find that exhaustiveness is related to the time invested to find an actual minimum, while the number of poses represents the number of possible minimums that Vina reports to you. Many times just the first ones will make sense (and that's why the default nr. is just 9), but it actually depends on the receptor and the ligand. Hope this helps.


Top
 Profile  
 
Display posts from previous:  Sort by  
Post new topic Reply to topic  [ 3 posts ] 

All times are UTC


Who is online

Users browsing this forum: Google Feedfetcher and 1 guest


You cannot post new topics in this forum
You cannot reply to topics in this forum
You cannot edit your posts in this forum
You cannot delete your posts in this forum
You cannot post attachments in this forum

Search for:
Jump to:  
POWERED_BY
Translated by MaĆ«l Soucaze © 2009 phpBB.fr